SCHEMBL17378346

SCHEMBL17378346

COC1=C(NCC(=O)O)CCC/C1=N\C(CO)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 2/20 0.39
▸ NFE2L2 Q16236 2/20 0.39
▸ ROCK2 O75116 1/20 0.30
▸ GRK2 P25098 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17378347 1.00 KEAP1 (0.39) KEAP1NFE2L2ROCK2GRK2
SCHEMBL17378348 1.00 KEAP1 (0.39) KEAP1NFE2L2ROCK2GRK2
SCHEMBL18811989 0.85 KEAP1 (0.35) KEAP1NFE2L2
SCHEMBL17378363 0.79 KEAP1 (0.43) KEAP1NFE2L2
SCHEMBL13532040 0.79 KEAP1 (0.55) KEAP1NFE2L2
SCHEMBL30892082 0.79 KEAP1 (0.55) KEAP1NFE2L2
SCHEMBL19129822 0.79 KEAP1 (0.55) KEAP1NFE2L2
SCHEMBL17378352 0.77 KEAP1 (0.43) KEAP1NFE2L2
SCHEMBL17378351 0.76 KEAP1 (0.42) KEAP1NFE2L2
SCHEMBL17378357 0.76 KEAP1 (0.42) KEAP1NFE2L2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170119641-A1 TOPICAL FORMULATIONS FOR UV PROTECTION TopGeniX, Inc. 2017-05-04 — — US disclosed
US-20170119641-A1 TOPICAL FORMULATIONS FOR UV PROTECTION TopGeniX, Inc. 2017-05-04 — — US disclosed
WO-2015195546-A1 TOPICAL FORMULATIONS FOR UV PROTECTION TopGeniX, Inc. (US) 2015-12-23 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170119641-A1 TOPICAL FORMULATIONS FOR UV PROTECTION ERCC4, ERCC1, UNG KEAP1 1046/4885NFE2L2 212/4885ROCK2 4595/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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